methyl 3-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]thieno[2,3-b]pyridine-2-carboxylate

Systemtic Name: methyl 3-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoylamino]thieno[2,3-b]pyridine-2-carboxylate Openeye Name: methyl 3-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]thieno[2,3-b]pyridine-2-carboxylate CAS Name: 3-[[2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxoethyl]amino]-2-thieno[2,3-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]thieno[2,3-b]pyridine-2-carboxylate Traditional Name: 3-[[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]amino]thieno[2,3-b]pyridine-2-carboxylic acid methyl ester Formula: C17H22N3O3S+ MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=C(SC3=C2C=CC=N3)C(=O)OC

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=C(SC3=C2C=CC=N3)C(=O)OC

InChI

InChI=1S/C17H21N3O3S/c1-11-5-4-8-20(9-11)10-13(21)19-14-12-6-3-7-18-16(12)24-15(14)17(22)23-2/h3,6-7,11H,4-5,8-10H2,1-2H3,(H,19,21)/p+1/t11-/m0/s1